5-(2-methylpropyl)-5-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]cyclopentene-1-carboxylate

Systemtic Name: 5-(2-methylpropyl)-5-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]cyclopentene-1-carboxylate Openeye Name: 5-[(E)-3-hydroxy-3-oxo-prop-1-enyl]-5-isobutyl-cyclopentene-1-carboxylate CAS Name: 5-[(E)-3-hydroxy-3-oxoprop-1-enyl]-5-(2-methylpropyl)-1-cyclopentenecarboxylate IUPAC Name: 5-[(E)-3-hydroxy-3-oxoprop-1-enyl]-5-(2-methylpropyl)cyclopentene-1-carboxylate Traditional Name: 5-[(E)-3-hydroxy-3-keto-prop-1-enyl]-5-isobutyl-cyclopentene-1-carboxylate Formula: C13H17O4- MolecularWeight: 237.27168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(CCC=C1C(=O)[O-])C=CC(=O)O

Isomeric SMILES

CC(C)CC1(CCC=C1C(=O)[O-])/C=C/C(=O)O

InChI

InChI=1S/C13H18O4/c1-9(2)8-13(7-5-11(14)15)6-3-4-10(13)12(16)17/h4-5,7,9H,3,6,8H2,1-2H3,(H,14,15)(H,16,17)/p-1/b7-5+